| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50571857 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2115922 (CHEMBL4824863) |
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| IC50 | >30000±n/a nM |
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| Citation |  Deddouche-Grass, S; Andouche, C; Bärenz, F; Halter, C; Hohwald, A; Lebrun, L; Membré, N; Morales, R; Muzet, N; Poirot, M; Reynaud, M; Roujean, V; Weber, F; Zimmermann, A; Heng, R; Basse, N Discovery and Optimization of a Series of Benzofuran Selective ERAP1 Inhibitors: Biochemical and ACS Med Chem Lett12:1137-1142 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50571857 |
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| n/a |
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| Name | BDBM50571857 |
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| Synonyms: | CHEMBL4854083 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H15ClFNO4 |
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| Mol. Mass. | 375.778 |
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| SMILES | CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O |
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| Structure | 
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